SCHEMBL2019376

SCHEMBL2019376

c1cc(-c2ccc(OC3CCNCC3)cc2)ccc1OC1CCNCC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 3/20 0.70
HRH3 Q9Y5N1 2/20 0.55
IKBKB O14920 1/20 0.50
KCNH2 Q12809 2/20 0.48
ACVR1B P36896 1/20 0.48
TGFBR1 P36897 1/20 0.48
ACVR1 Q04771 1/20 0.48
PRKCZ Q05513 1/20 0.48
ROCK1 Q13464 2/20 0.47
ROCK2 O75116 1/20 0.47
PRKACA P17612 1/20 0.47
PRKCD Q05655 1/20 0.47
PRKG1 Q13976 1/20 0.47
PKN1 Q16512 1/20 0.47
PKN2 Q16513 1/20 0.47
AAK1 Q2M2I8 1/20 0.47
CDC42BPA Q5VT25 1/20 0.47
Q6ZSR9 Q6ZSR9 1/20 0.47
BMP2K Q9NSY1 1/20 0.47
CDC42BPB Q9Y5S2 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5204218 0.92 HRH1 (0.79) HRH1HRH3IKBKBKCNH2ROCK1
SCHEMBL14431595 0.91 HRH1 (0.59) HRH1HRH3IKBKB
SCHEMBL13703555 0.88 HRH1 (0.71) HRH1HRH3IKBKBKCNH2ROCK1
SCHEMBL18318183 0.88 HRH3 (0.58) HRH1HRH3
Hydrochloric Acid SCHEMBL4328371 0.86 HRH1 (0.69) HRH1HRH3IKBKBKCNH2ROCK1
SCHEMBL6121373 0.85 HRH1 (0.68) HRH1HRH3IKBKBPRKCZROCK1
Hydrochloric Acid SCHEMBL3636395 0.83 HRH1 (0.66) HRH1HRH3IKBKBKCNH2ACVR1B
SCHEMBL18620969 0.83 HRH1 (0.66) HRH1HRH3IKBKBKCNH2ACVR1B
SCHEMBL187857 0.83 HRH1 (0.66) HRH1HRH3IKBKBROCK1ROCK2
SCHEMBL14145810 0.83 HRH1 (0.66) HRH1HRH3IKBKBKCNH2ACVR1B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2652552-B9 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS TRANSITIONS OPTICAL INC (US) 2016-02-17 EP claimed
EP-2652552-B1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS TRANSITIONS OPTICAL INC (US) 2015-09-02 EP claimed
EP-2652552-B9 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS TRANSITIONS OPTICAL INC (US) 2016-02-17 EP disclosed
EP-2652552-B1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS TRANSITIONS OPTICAL INC (US) 2015-09-02 EP disclosed
US-8545984-B2 Photochromic compounds and compositions TRANSITIONS OPTICAL, INC. (US) 2013-10-01 US disclosed
US-20110129678-A1 Photochromic compounds and compositions TRANSITIONS OPTICAL, INC. (US) 2011-06-02 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110129678-A1 Photochromic compounds and compositions CRY2, CRY1, PPOX HRH1 1347/4885HRH3 994/4885IKBKB 3336/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.